[3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone

C20H12F6O2 — CID 169324761

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone
SMILESCOc1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2c1
InChIInChI=1S/C20H12F6O2/c1-28-15-8-11-4-2-3-5-16(11)17(10-15)18(27)12-6-13(19(21,22)23)9-14(7-12)20(24,25)26/h2-10H,1H3
InChIKeyVXDGMIWICJZUNN-UHFFFAOYSA-N
MW398.30 g/mol
LogP6.12
Rot. Bonds3

About [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone

[3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone (PubChem CID 169324761) has the molecular formula C20H12F6O2 and a molecular weight of 398.30 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone
PubChem CID169324761
Molecular FormulaC20H12F6O2
Molecular Weight398.30 g/mol
Exact Mass398.07
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone
SMILESCOc1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2c1
InChIInChI=1S/C20H12F6O2/c1-28-15-8-11-4-2-3-5-16(11)17(10-15)18(27)12-6-13(19(21,22)23)9-14(7-12)20(24,25)26/h2-10H,1H3
InChIKeyVXDGMIWICJZUNN-UHFFFAOYSA-N
XLogP6.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4409
Beta-Naphthoflavone
CID 2361
Cra 13
CID 9799417
6-Methoxy-alpha-tetralone
CID 14112
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
6-Methoxy-2-naphthaldehyde
CID 76991
2-Naphthyl benzoate
CID 66734
2-(4-Methoxybenzylidene)-1-tetralone
CID 695537
1(2H)-Naphthalenone, 3,4-dihydro-2-((3,4-dimethoxyphenyl)methylene)-, (E)-
CID 756926
1-(6-Methoxy-2-naphthalenyl)-1-propanone
CID 75913
6-Methoxy-2-Naphthoic Acid
CID 349181

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone (CID 169324761) is [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone is COc1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone?
The InChIKey is VXDGMIWICJZUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6O2/c1-28-15-8-11-4-2-3-5-16(11)17(10-15)18(27)12-6-13(19(21,22)23)9-14(7-12)20(24,25)26/h2-10H,1H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone?
[3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone has a molecular weight of 398.30 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(3-methoxynaphthalen-1-yl)methanone is sourced from PubChem (CID 169324761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).